SCHEMBL16950409

SCHEMBL16950409

[CH2]C(CO)c1cc(F)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CYP11B1 P15538 5/20 0.36
▸ CYP11B2 P19099 5/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ AR P10275 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ ALK Q9UM73 1/20 0.33
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ S1PR3 Q99500 3/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16957673 0.85 TRPV4 (0.38) TRPV4MAOAMAOBCYP11B1CYP11B2
SCHEMBL16958667 0.81 MAOB (0.38) MAOAMAOBARPGRADRB2
SCHEMBL16955967 0.81 IMPDH2 (0.33) ARPGR
SCHEMBL16953248 0.80 AR (0.36) MAOAMAOBFFAR4FFAR1AR
SCHEMBL16954155 0.80 VCAM1 (0.39) MAOAMAOBS1PR3
SCHEMBL16956714 0.80 AR (0.43) ARPGRSCN9A
SCHEMBL16958723 0.77 TRPV4 (0.40) TRPV4MAOAMAOBCYP11B1CYP11B2
SCHEMBL16952493 0.77 CYP11B1 (0.41) TRPV4MAOAMAOBCYP11B1CYP11B2
SCHEMBL16954447 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16955761 0.77 TRPV4 (0.44) TRPV4CYP11B1CYP11B2ADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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